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Molecule
2,3,4,6-Tetrakis-O-(Phenylmethyl)-D-Glucopyranose
CAS: 4132-28-9 · C34H36O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4132-28-9
- Molecular Formula
- C34H36O6
- Molecular Mass
- 540.66 g/mol
Identifiers
CAS Registry Number
4132-28-9
SMILES
OC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChI Key
OGOMAWHSXRDAKZ-BKJHVTENSA-N
InChI
InChI=1S/C34H36O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34?/m1/s1
Names and Synonyms
- 2,3,4,6-Tetrakis-O-(Phenylmethyl)-D-Glucopyranose Systematic Name
- D-Glucopyranose, 2,3,4,6-tetrakis-O-(phenylmethyl)- Synonym
- Glucopyranose, 2,3,4,6-tetra-O-benzyl-, D- Synonym
- Glucopyranose, 2,3,4,6-tetra-O-benzyl- Synonym
- 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose Synonym
- 2,3,4,6-Tetra-O-benzoyl-D-glucopyranose Synonym
- 2,3,4,6-Tetra-O-benzyl-glucopyranose Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 540.66 g/mol | CAS Common Chemistry |
| 540.6560000000003 g/mol | RDKit | |
| 540.656 g/mol | RDKit | |
| Canonical SMILES | OC1OC(COCC=2C=CC=CC2)C(OCC=3C=CC=CC3)C(OCC=4C=CC=CC4)C1OCC=5C=CC=CC5 | CAS Common Chemistry |
| InChI | InChI=1S/C34H36O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34?/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OGOMAWHSXRDAKZ-BKJHVTENSA-N | CAS Common Chemistry |
| Melting Point | 145-149 °C | CAS Common Chemistry |
| Name | 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose | CAS Common Chemistry |
| Heavy Atom Count | 40 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 66.38000000000001 Ų | RDKit |
| 66.38 Ų | RDKit | |
| LogP | 5.676600000000006 | RDKit |
| 5.6766 | RDKit | |
| Molar Refractivity | 152.0347999999997 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 540.251188872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 540.66 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C34H36O6.
